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Compile Data Set for Download or QSAR

Found 1756 hits of ki data for polymerid = 1622,2113   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093352
PNG
(CHEMBL3586678)
Show SMILES COc1cncc(n1)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1
Show InChI InChI=1S/C19H22F2N8O2S/c1-31-17-7-22-6-16(26-17)29-5-3-13-14(9-29)32-19(25-13)27-18(30)23-4-2-12-8-28(11-24-12)10-15(20)21/h6-8,11,15H,2-5,9-10H2,1H3,(H2,23,25,27,30)
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0.00200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093351
PNG
(CHEMBL3585362)
Show SMILES COc1cc(cnc1Cl)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1
Show InChI InChI=1S/C20H22ClF2N7O2S/c1-32-15-6-13(7-25-18(15)21)30-5-3-14-16(9-30)33-20(27-14)28-19(31)24-4-2-12-8-29(11-26-12)10-17(22)23/h6-8,11,17H,2-5,9-10H2,1H3,(H2,24,27,28,31)
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0.00300n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093355
PNG
(CHEMBL3586677)
Show SMILES COc1cncc(c1)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1
Show InChI InChI=1S/C20H23F2N7O2S/c1-31-15-6-14(7-23-8-15)29-5-3-16-17(10-29)32-20(26-16)27-19(30)24-4-2-13-9-28(12-25-13)11-18(21)22/h6-9,12,18H,2-5,10-11H2,1H3,(H2,24,26,27,30)
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0.00300n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093356
PNG
(CHEMBL3586676)
Show SMILES COc1cncc(c1)N1CCc2nc(NC(=O)NCCc3cn(CCF)cn3)sc2C1
Show InChI InChI=1S/C20H24FN7O2S/c1-30-16-8-15(9-22-10-16)28-6-3-17-18(12-28)31-20(25-17)26-19(29)23-5-2-14-11-27(7-4-21)13-24-14/h8-11,13H,2-7,12H2,1H3,(H2,23,25,26,29)
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0.00600n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093354
PNG
(CHEMBL3586679)
Show SMILES COc1cncc(c1)N1CCc2nc(NC(=O)NCCc3cn(CC(F)(F)F)cn3)sc2C1
Show InChI InChI=1S/C20H22F3N7O2S/c1-32-15-6-14(7-24-8-15)30-5-3-16-17(10-30)33-19(27-16)28-18(31)25-4-2-13-9-29(12-26-13)11-20(21,22)23/h6-9,12H,2-5,10-11H2,1H3,(H2,25,27,28,31)
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0.00900n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093395
PNG
(CHEMBL3586674)
Show SMILES CCCn1cnc(CCNC(=O)Nc2nc3CCN(Cc3s2)c2cncc(OC)c2)c1
Show InChI InChI=1S/C21H27N7O2S/c1-3-7-27-12-15(24-14-27)4-6-23-20(29)26-21-25-18-5-8-28(13-19(18)31-21)16-9-17(30-2)11-22-10-16/h9-12,14H,3-8,13H2,1-2H3,(H2,23,25,26,29)
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0.0100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093417
PNG
(CHEMBL3586672)
Show SMILES CCCOCCNC(=O)Nc1nc2CCN(Cc2s1)c1cncc(OC)c1
Show InChI InChI=1S/C18H25N5O3S/c1-3-7-26-8-5-20-17(24)22-18-21-15-4-6-23(12-16(15)27-18)13-9-14(25-2)11-19-10-13/h9-11H,3-8,12H2,1-2H3,(H2,20,21,22,24)
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0.0110n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093437
PNG
(CHEMBL3586668)
Show SMILES COc1cc(cnc1OC)N1CCc2nc(NC(C)=O)sc2C1
Show InChI InChI=1S/C20H32O2/c1-19-7-5-14(21)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12-11-22-18(12)20/h12-18,21H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17+,18+,19+,20+/m1/s1
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0.0130n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149477
PNG
(CHEMBL3770993 | US10851091, U.S. Pat. No. 8,242,10...)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/m0/s1
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US Patent
0.0160n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...


US Patent US10851091 (2020)


BindingDB Entry DOI: 10.7270/Q2WS8X9V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093399
PNG
(CHEMBL3586673)
Show SMILES COc1cncc(c1)N1CCc2nc(NC(=O)NCCc3cn(cn3)C(C)C)sc2C1
Show InChI InChI=1S/C21H27N7O2S/c1-14(2)28-11-15(24-13-28)4-6-23-20(29)26-21-25-18-5-7-27(12-19(18)31-21)16-8-17(30-3)10-22-9-16/h8-11,13-14H,4-7,12H2,1-3H3,(H2,23,25,26,29)
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0.0160n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093434
PNG
(CHEMBL3586670)
Show SMILES COc1cncc(n1)N1CCc2nc(NC(C)=O)sc2C1
Show InChI InChI=1S/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)/p-2
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0.0170n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272979
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1 |r|
Show InChI InChI=1S/C23H23N5O4/c24-21(29)20(12-3-4-12)31-14-10-16-19-18(11-14)30-8-2-1-7-28(19)22(26-16)13-5-6-17-15(9-13)27-23(25)32-17/h5-6,9-12,20H,1-4,7-8H2,(H2,24,29)(H2,25,27)/t20-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272937
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]thiazol- 6-yl)...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2nc(N)sc2c1)C(N)=O |r|
Show InChI InChI=1S/C21H20FN5O3S/c1-10(19(23)28)30-12-8-14-18-15(9-12)29-5-3-2-4-27(18)20(25-14)11-6-13(22)17-16(7-11)31-21(24)26-17/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272967
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O |r|
Show InChI InChI=1S/C22H22FN5O4/c1-2-16(20(24)29)31-12-9-14-18-17(10-12)30-6-4-3-5-28(18)21(26-14)11-7-13(23)19-15(8-11)27-22(25)32-19/h7-10,16H,2-6H2,1H3,(H2,24,29)(H2,25,27)/t16-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272966
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O |r|
Show InChI InChI=1S/C22H23N5O4/c1-2-16(20(23)28)30-13-10-15-19-18(11-13)29-8-4-3-7-27(19)21(25-15)12-5-6-17-14(9-12)26-22(24)31-17/h5-6,9-11,16H,2-4,7-8H2,1H3,(H2,23,28)(H2,24,26)/t16-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272989
PNG
((2R,3S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,...)
Show SMILES NC(=O)[C@@H]1[C@@H](F)CCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1 |r|
Show InChI InChI=1S/C23H23FN6O3/c24-14-5-7-29(19(14)21(25)31)13-10-16-20-18(11-13)32-8-2-1-6-30(20)22(27-16)12-3-4-17-15(9-12)28-23(26)33-17/h3-4,9-11,14,19H,1-2,5-8H2,(H2,25,31)(H2,26,28)/t14-,19-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272991
PNG
((S)-2-((1-(5-(1H-1,2,4- triazol-5-yl)pyridin-2- yl...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cn1)-c1ncn[nH]1)C(N)=O |r|
Show InChI InChI=1S/C21H21N7O3/c1-12(19(22)29)31-14-8-16-18-17(9-14)30-7-3-2-6-28(18)21(26-16)15-5-4-13(10-23-15)20-24-11-25-27-20/h4-5,8-12H,2-3,6-7H2,1H3,(H2,22,29)(H,24,25,27)/t12-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM273000
PNG
((S)-2-cyclopropyl-2- ((1-(3-fluoro-4-(1H- 1,2,4-tr...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(-c2ncn[nH]2)c(F)c1)C1CC1 |r|
Show InChI InChI=1S/C24H23FN6O3/c25-17-9-14(5-6-16(17)23-27-12-28-30-23)24-29-18-10-15(34-21(22(26)32)13-3-4-13)11-19-20(18)31(24)7-1-2-8-33-19/h5-6,9-13,21H,1-4,7-8H2,(H2,26,32)(H,27,28,30)/t21-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM273002
PNG
((S)-2-((1-(5-fluoro-6- (1H-1,2,4-triazol-5- yl)pyr...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cnc(-c2ncn[nH]2)c(F)c1)C(N)=O |r|
Show InChI InChI=1S/C21H20FN7O3/c1-11(19(23)30)32-13-7-15-18-16(8-13)31-5-3-2-4-29(18)21(27-15)12-6-14(22)17(24-9-12)20-25-10-26-28-20/h6-11H,2-5H2,1H3,(H2,23,30)(H,25,26,28)/t11-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM273010
PNG
((S)-2-((1-(2- aminothiazolo[5,4- b]pyridin-5-yl)- ...)
Show SMILES COC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2n1)C(N)=O |r|
Show InChI InChI=1S/C21H22N6O4S/c1-29-10-16(18(22)28)31-11-8-14-17-15(9-11)30-7-3-2-6-27(17)19(24-14)12-4-5-13-20(25-12)32-21(23)26-13/h4-5,8-9,16H,2-3,6-7,10H2,1H3,(H2,22,28)(H2,23,26)/t16-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM295675
PNG
(US10851091, U.S. Pat. No. 8,242,104 No. 469 | US82...)
Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N7O2/c21-20(22,23)10-30-19(25-11-26-30)14-9-28-6-7-32-16-8-12(3-4-13(16)18(28)27-14)29-5-1-2-15(29)17(24)31/h3-4,8-9,11,15H,1-2,5-7,10H2,(H2,24,31)/t15-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...


US Patent US10851091 (2020)


BindingDB Entry DOI: 10.7270/Q2WS8X9V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272830
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-8,9-dihyd...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1 |r|
Show InChI InChI=1S/C22H22N6O3/c23-20(29)18(11-2-3-11)25-13-9-15-19-17(10-13)30-7-1-6-28(19)21(26-15)12-4-5-16-14(8-12)27-22(24)31-16/h4-5,8-11,18,25H,1-3,6-7H2,(H2,23,29)(H2,24,27)/t18-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272899
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES C\C=C(\O[C@@H](C)C(N)=O)/C=c1/nc(-c2ccc3oc(N)nc3c2)n2CCCCO/C=c/1\2 |r,t:31|
Show InChI InChI=1S/C22H25N5O4/c1-3-15(30-13(2)20(23)28)11-16-18-12-29-9-5-4-8-27(18)21(25-16)14-6-7-19-17(10-14)26-22(24)31-19/h3,6-7,10-13H,4-5,8-9H2,1-2H3,(H2,23,28)(H2,24,26)/b15-3+,16-11+,18-12-/t13-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272903
PNG
((S)-2-((2-(2- aminobenzo[d]oxazol- 5-yl)-3,4-dihyd...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1 |r|
Show InChI InChI=1S/C21H20N6O3/c22-19(28)17(10-1-2-10)24-12-8-14-18-16(9-12)29-6-5-27(18)20(25-14)11-3-4-15-13(7-11)26-21(23)30-15/h3-4,7-10,17,24H,1-2,5-6H2,(H2,22,28)(H2,23,26)/t17-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272909
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1 |r|
Show InChI InChI=1S/C23H24N6O2S/c24-21(30)19(12-3-4-12)26-14-10-16-20-17(11-14)31-8-2-1-7-29(20)22(27-16)13-5-6-15-18(9-13)32-23(25)28-15/h5-6,9-12,19,26H,1-4,7-8H2,(H2,24,30)(H2,25,28)/t19-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272936
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1F)C(N)=O |r|
Show InChI InChI=1S/C21H20FN5O4/c1-10(19(23)28)30-11-8-13-18-15(9-11)29-7-3-2-6-27(18)20(25-13)12-4-5-14-17(16(12)22)26-21(24)31-14/h4-5,8-10H,2-3,6-7H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272975
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]thiazol- 6-yl)...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2nc(N)sc2c1)C1CC1 |r|
Show InChI InChI=1S/C23H22FN5O3S/c24-14-7-12(8-17-18(14)28-23(26)33-17)22-27-15-9-13(32-20(21(25)30)11-3-4-11)10-16-19(15)29(22)5-1-2-6-31-16/h7-11,20H,1-6H2,(H2,25,30)(H2,26,28)/t20-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272938
PNG
((S)-2-((1-(4-(1H- 1,2,4-triazol-3- yl)phenyl)-7,8,...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1)-c1nc[nH]n1)C(N)=O |r|
Show InChI InChI=1S/C22H22N6O3/c1-13(20(23)29)31-16-10-17-19-18(11-16)30-9-3-2-8-28(19)22(26-17)15-6-4-14(5-7-15)21-24-12-25-27-21/h4-7,10-13H,2-3,8-9H2,1H3,(H2,23,29)(H,24,25,27)/t13-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272939
PNG
((S)-2-((1-(2- aminoquinoxalin-6- yl)-7,8,9,10- tet...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)cnc2c1)C(N)=O |r|
Show InChI InChI=1S/C22H22N6O3/c1-12(21(24)29)31-14-9-17-20-18(10-14)30-7-3-2-6-28(20)22(27-17)13-4-5-15-16(8-13)25-11-19(23)26-15/h4-5,8-12H,2-3,6-7H2,1H3,(H2,23,26)(H2,24,29)/t12-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272941
PNG
((S)-2-((1-(2- Aminobenzo[d]thiazol- 5-yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2sc(N)nc2c1)C1CC1 |r|
Show InChI InChI=1S/C23H24N6O2S/c24-21(30)19(12-3-4-12)26-14-10-16-20-17(11-14)31-8-2-1-7-29(20)22(27-16)13-5-6-18-15(9-13)28-23(25)32-18/h5-6,9-12,19,26H,1-4,7-8H2,(H2,24,30)(H2,25,28)/t19-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272984
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C1CC1 |r|
Show InChI InChI=1S/C23H22FN5O4/c24-14-7-12(8-16-20(14)33-23(26)28-16)22-27-15-9-13(32-19(21(25)30)11-3-4-11)10-17-18(15)29(22)5-1-2-6-31-17/h7-11,19H,1-6H2,(H2,25,30)(H2,26,28)/t19-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272944
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O |r|
Show InChI InChI=1S/C21H20FN5O4/c1-10(19(23)28)30-12-8-14-17-16(9-12)29-5-3-2-4-27(17)20(25-14)11-6-13(22)18-15(7-11)26-21(24)31-18/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272945
PNG
((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10- ...)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1 |r|
Show InChI InChI=1S/C23H24N6O3/c24-21(30)17-4-3-8-28(17)14-11-16-20-19(12-14)31-9-2-1-7-29(20)22(26-16)13-5-6-18-15(10-13)27-23(25)32-18/h5-6,10-12,17H,1-4,7-9H2,(H2,24,30)(H2,25,27)/t17-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272949
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES C[C@H](N(C)c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O |r|
Show InChI InChI=1S/C22H24N6O3/c1-12(20(23)29)27(2)14-10-16-19-18(11-14)30-8-4-3-7-28(19)21(25-16)13-5-6-17-15(9-13)26-22(24)31-17/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,23,29)(H2,24,26)/t12-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272956
PNG
((S)-2-((1-(2-amino-4,7- difluorobenzo[d]oxazol- 5-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1F)C(N)=O |r|
Show InChI InChI=1S/C21H19F2N5O4/c1-9(19(24)29)31-10-6-13-17-14(7-10)30-5-3-2-4-28(17)20(26-13)11-8-12(22)18-16(15(11)23)27-21(25)32-18/h6-9H,2-5H2,1H3,(H2,24,29)(H2,25,27)/t9-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272959
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES C[C@H](N(C)c1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O |r|
Show InChI InChI=1S/C22H23FN6O3/c1-11(20(24)30)28(2)13-9-15-18-17(10-13)31-6-4-3-5-29(18)21(26-15)12-7-14(23)19-16(8-12)27-22(25)32-19/h7-11H,3-6H2,1-2H3,(H2,24,30)(H2,25,27)/t11-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272960
PNG
((S)-2-((1-(2- aminothiazolo[5,4- b]pyridin-5-yl)- ...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2n1)C(N)=O |r|
Show InChI InChI=1S/C20H20N6O3S/c1-10(17(21)27)29-11-8-14-16-15(9-11)28-7-3-2-6-26(16)18(23-14)12-4-5-13-19(24-12)30-20(22)25-13/h4-5,8-10H,2-3,6-7H2,1H3,(H2,21,27)(H2,22,25)/t10-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272964
PNG
((S)-2-((1-(3-fluoro-4- (1H-1,2,4-triazol-3- yl)phe...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(-c2nc[nH]n2)c(F)c1)C(N)=O |r|
Show InChI InChI=1S/C22H21FN6O3/c1-12(20(24)30)32-14-9-17-19-18(10-14)31-7-3-2-6-29(19)22(27-17)13-4-5-15(16(23)8-13)21-25-11-26-28-21/h4-5,8-12H,2-3,6-7H2,1H3,(H2,24,30)(H,25,26,28)/t12-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272963
PNG
((S)-2-((1-(4-(1H-1,2,4- triazol-3-yl)phenyl)- 7,8,...)
Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1)-c1nc[nH]n1)C(N)=O |r|
Show InChI InChI=1S/C23H24N6O3/c1-2-18(21(24)30)32-16-11-17-20-19(12-16)31-10-4-3-9-29(20)23(27-17)15-7-5-14(6-8-15)22-25-13-26-28-22/h5-8,11-13,18H,2-4,9-10H2,1H3,(H2,24,30)(H,25,26,28)/t18-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272988
PNG
((S)-2-((1-(2-fluoro-4- (1H-1,2,4-triazol-5- yl)phe...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1F)-c1ncn[nH]1)C(N)=O |r|
Show InChI InChI=1S/C22H21FN6O3/c1-12(20(24)30)32-14-9-17-19-18(10-14)31-7-3-2-6-29(19)22(27-17)15-5-4-13(8-16(15)23)21-25-11-26-28-21/h4-5,8-12H,2-3,6-7H2,1H3,(H2,24,30)(H,25,26,28)/t12-/m0/s1
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0.0220n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM295679
PNG
(US10851091, U.S. Pat. No. 8,242,104 No. 529 | US82...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |r|
Show InChI InChI=1S/C18H18F3N7O2/c1-10(15(22)29)25-11-2-3-12-14(6-11)30-5-4-27-7-13(26-16(12)27)17-23-9-24-28(17)8-18(19,20)21/h2-3,6-7,9-10,25H,4-5,8H2,1H3,(H2,22,29)/t10-/m0/s1
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0.0230n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...


US Patent US10851091 (2020)


BindingDB Entry DOI: 10.7270/Q2WS8X9V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272987
PNG
((S)-2-((1-(3- aminobenzo[e][1,2,4]tri- azin-7-yl)-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)nnc2c1)C(N)=O |r|
Show InChI InChI=1S/C21H21N7O3/c1-11(19(22)29)31-13-9-16-18-17(10-13)30-7-3-2-6-28(18)20(24-16)12-4-5-14-15(8-12)26-27-21(23)25-14/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,29)(H2,23,25,27)/t11-/m0/s1
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0.0240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272942
PNG
((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-3-fluoro-7...)
Show SMILES Nc1nc2cc(ccc2o1)-c1nc2c(F)c(cc3OCCCCn1c23)N1CCC[C@H]1C(F)=O |r|
Show InChI InChI=1S/C23H21F2N5O3/c24-18-15(29-8-3-4-14(29)21(25)31)11-17-20-19(18)28-22(30(20)7-1-2-9-32-17)12-5-6-16-13(10-12)27-23(26)33-16/h5-6,10-11,14H,1-4,7-9H2,(H2,26,27)/t14-/m0/s1
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0.0240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093436
PNG
(CHEMBL3586669)
Show SMILES COc1cc(cnc1Cl)N1CCc2nc(NC(C)=O)sc2C1
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/p-2/b7-3+,8-4+/t19-,20-/m1/s1
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0.0240n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50093353
PNG
(CHEMBL3586680)
Show SMILES COc1cncc(c1)N1CCc2nc(NC(=O)NCCc3cn(CCO)cn3)sc2C1
Show InChI InChI=1S/C20H25N7O3S/c1-30-16-8-15(9-21-10-16)27-5-3-17-18(12-27)31-20(24-17)25-19(29)22-4-2-14-11-26(6-7-28)13-23-14/h8-11,13,28H,2-7,12H2,1H3,(H2,22,24,25,29)
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0.0250n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272889
PNG
((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-3-fluoro-8...)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCn3c(nc(c1F)c23)-c1ccc2oc(N)nc2c1 |r|
Show InChI InChI=1S/C22H21FN6O3/c23-17-14(28-6-1-3-13(28)20(24)30)10-16-19-18(17)27-21(29(19)7-2-8-31-16)11-4-5-15-12(9-11)26-22(25)32-15/h4-5,9-10,13H,1-3,6-8H2,(H2,24,30)(H2,25,26)/t13-/m0/s1
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0.0260n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50602306
PNG
(CHEMBL5208487)
Show SMILES CC(C)n1nc(N)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r|
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0.0260n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01422
BindingDB Entry DOI: 10.7270/Q2S46X11
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272976
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1 |r|
Show InChI InChI=1S/C23H23N5O3S/c24-21(29)20(12-3-4-12)31-14-10-16-19-17(11-14)30-8-2-1-7-28(19)22(26-16)13-5-6-15-18(9-13)32-23(25)27-15/h5-6,9-12,20H,1-4,7-8H2,(H2,24,29)(H2,25,27)/t20-/m0/s1
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0.0270n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272943
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C(N)=O |r|
Show InChI InChI=1S/C21H21N5O3S/c1-11(19(22)27)29-13-9-15-18-16(10-13)28-7-3-2-6-26(18)20(24-15)12-4-5-14-17(8-12)30-21(23)25-14/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,27)(H2,23,25)/t11-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149477
PNG
(CHEMBL3770993 | US10851091, U.S. Pat. No. 8,242,10...)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay


J Med Chem 59: 985-1002 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV
More data for this
Ligand-Target Pair
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